Garik Petrosyan
I am machine learning researcher at Biosim AI which is a drug discovery company. My interests are machine learning, high performance computing, complex system simulation. I defended my PhD at Yerevan State University where I am currently Assistant Professor.
Session
07-26
15:00
10min
BiosimVS.jl: Virtual screening of ultra-large chemical libraries
Garik Petrosyan
BiosimVS.jl: Virtual screening of ultra-large chemical libraries
Virtual screening (VS) is a computational technique used in drug discovery, enabling searching libraries of small molecules in order to identify those compounds that are most likely to bind to a drug target. We discuss the BiosimVS.jl package that enables virtual screening of ultra-large scale chemical libraries, containing billions of molecules.
Biology and Medicine
32-124